4,4'-Oxybis(benzoylhydrazide) , CAS No.13092-49-4

CAS: 13092-49-4 Cat. No.: O976638 Molecular Weight: 286.290

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(=O)NN)OC2=CC=C(C=C2)C(=O)NN
• IUPAC Name: 4-[4-(hydrazinecarbonyl)phenoxy]benzohydrazide
• InChIKey: GMVKIRUIWVGPQC-UHFFFAOYSA-N
• INCHI: 1S/C14H14N4O3/c15-17-13(19)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(20)18-16/h1-8H,15-16H2,(H,17,19)(H,18,20)
• Molecular Weight: 286.290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 286.290 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 286.107 Da
• Monoisotopic Mass: 286.107 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1